REMARK  Name = BDB015938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172   1.531   0.179  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.420   0.340  -0.035  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.762   0.304  -0.195  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.526   1.471  -0.188  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.819   2.636   0.053  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.484   2.700   0.239  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.794   0.354   0.466  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.400   0.360   0.296  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.639   1.547   0.362  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.337   2.743   0.610  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.722   2.756   0.783  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.447   1.567   0.712  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.378  -3.002  -0.287  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.128  -2.366   0.049  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.098  -3.118   0.475  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.128  -2.223   0.684  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.530  -0.897   0.395  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.840  -1.034  -0.018  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.965   1.534  -0.418  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -4.723   2.474   0.175  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.971   2.235  -0.262  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.056   3.066   0.201  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -6.052   1.194  -1.134  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.769   0.720  -1.264  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.365  -0.952  -0.407  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.160  -1.053   0.229  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.478  -2.109  -0.246  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.297  -3.393  -0.419  0.00  0.00    +0.174 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -3.313  -3.459   0.586  0.00  0.00    -0.393 OA
ATOM     30  H   LIG    1       -3.810  -4.280   0.425  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7